• Formula : Pt5Se4
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.577
    b = 4.61
    c = 11.122
    α = 90.0
    β = 101.59
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 148
  • Band gap = 0.0 eV
    Direct Gap = 0.012 eV
    Metallicity = 0.257
    Topological Z2 indices ν = (0;101)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Kristallstruktur von Pt5Se4 Locality: synthetic,
    Journal of the Less-Common Metals 55, 185 (1977)

Band structure with spin-orbit coupling